Molecule card · MolClass #3911
151378-33-5
151378-33-5: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 3911
- InChIKey
- GSMQLSLMXNUMDK-UHFFFAOYSA-N
- Canonical SMILES
- OC6C(O)C1OC1C5=C6(C=CC4c3cccc2cccc(c23)C45)
- Standard InChI
- InChI=1S/C20H16O3/c21-17-13-8-7-11-10-5-1-3-9-4-2-6-12(14(9)10)15(11)16(13)19-20(23-19)18(17)22/h1-8,11,15,17-22H
- Stored Murcko scaffold
- O1C2C3=C(C=CC4c5cccc6cccc(c65)C34)CCC12
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.891
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Toxicity Benchmark
Dataset #5 · 151378-33-5